CS-0531995
(E)-1,1'-(5-Methyl-7-oxoundec-5-ene-1,11-diyl)bis(3,7-dimethyl-1H-purine-2,6(3H,7H)-dione) Pentoxifylline Impurity
Manufacturer: ChemScene
CAS Number: 874747-30-5
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Purity
98%
MDL No
None
Storage
Store at room temperature
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₆H₃₄N₈O₅
Molecular Weight
538.60
Synonyms
1-[(E)-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-5-methyl-7-oxoundec-5-enyl]-3,7-dimethylpurine-2,6-dione
SMILES
O=C1C2=C(N=CN2C)N(C(N1CCCC/C(C)=C/C(CCCCN3C(C4=C(N=CN4C)N(C3=O)C)=O)=O)=O)C
Tpsa
140.71
Logp
0.737
H Acceptors
13
H Donors
0
Rotatable Bonds
11
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₃₄N₈O₅
Molecular Weight: 538.60
Synonyms: 1-[(E)-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-5-methyl-7-oxoundec-5-enyl]-3,7-dimethylpurine-2,6-dione
SMILES: O=C1C2=C(N=CN2C)N(C(N1CCCC/C(C)=C/C(CCCCN3C(C4=C(N=CN4C)N(C3=O)C)=O)=O)=O)C
Tpsa: 140.71
Logp: 0.737
H Acceptors: 13
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₄N₈O₅
Molecular Weight:
538.60
Synonyms:
1-[(E)-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-5-methyl-7-oxoundec-5-enyl]-3,7-dimethylpurine-2,6-dione
SMILES:
O=C1C2=C(N=CN2C)N(C(N1CCCC/C(C)=C/C(CCCCN3C(C4=C(N=CN4C)N(C3=O)C)=O)=O)=O)C
Tpsa:
140.71
Logp:
0.737
H Acceptors:
13
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀BrF
Molecular Weight: 217.08
Synonyms: 1-Bromo-3-fluoro-2-(propan-2-yl)benzene
SMILES: CC(C1=C(F)C=CC=C1Br)C
Tpsa: 0
Logp: 3.7116
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀BrF
Molecular Weight:
217.08
Synonyms:
1-Bromo-3-fluoro-2-(propan-2-yl)benzene
SMILES:
CC(C1=C(F)C=CC=C1Br)C
Tpsa:
0
Logp:
3.7116
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₃Br₂F₂N
Molecular Weight: 286.90
Synonyms: None
SMILES: FC(C1=C(Br)C=CN=C1Br)F
Tpsa: 12.89
Logp: 3.5442
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₃Br₂F₂N
Molecular Weight:
286.90
Synonyms:
None
SMILES:
FC(C1=C(Br)C=CN=C1Br)F
Tpsa:
12.89
Logp:
3.5442
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅F₆NO₂
Molecular Weight: 273.13
Synonyms: None
SMILES: O=C(C1=C(C=C(C(F)(F)F)C=C1C(F)(F)F)N)O
Tpsa: 63.32
Logp: 3.0046
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅F₆NO₂
Molecular Weight:
273.13
Synonyms:
None
SMILES:
O=C(C1=C(C=C(C(F)(F)F)C=C1C(F)(F)F)N)O
Tpsa:
63.32
Logp:
3.0046
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1